Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 2/20 | 0.36 |
| ▸ | G6PD | P11413 | 2/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13825779 | 0.80 | CCR1 (0.48) | S100A4CCR1RAB9ACCR5NSD2 | |
| SCHEMBL26155339 | 0.77 | CYP1A2 (0.45) | S100A4RAB9AKMT2ACYP1A2KDM4E | |
| SCHEMBL24066436 | 0.76 | ADORA2A (0.44) | S100A4RAB9AKMT2ACYP1A2CYP2C19 | |
| SCHEMBL29504006 | 0.75 | — | — | |
| SCHEMBL82917 | 0.75 | — | — | |
| SCHEMBL19607596 | 0.74 | CYP1A2 (0.47) | S100A4CCR1RAB9ACCR5KMT2A | |
| SCHEMBL26232902 | 0.72 | CYP1A2 (0.45) | RAB9AKMT2ACYP1A2KDM4EMAPT | |
| SCHEMBL24394983 | 0.72 | NUDT1 (0.42) | S100A4CCR1NOS3NOS2CCR8 | |
| SCHEMBL21982341 | 0.71 | NPC1 (0.42) | RAB9ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL24404852 | 0.70 | S100A4 (0.43) | S100A4CCR1RAB9ACCR5NSD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9728730-B2 | Compound for organic optoelectric device and composition and organic optoelectric device and display device | SAMSUNG SDI CO., LTD. (KR) | 2017-08-08 | — | — | US | disclosed |